1-[2,6-Bis[2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]phenyl]ethanone
Basic information
- Standard SMILES
CC(=O)c1c(OCC(O)CN2CCN(C)CC2)cccc1OCC(O)CN1CCN(C)CC1- InChIKey
JCGQOUZRUHLNLA-UHFFFAOYSA-N- Molecular formula
- C24H40N4O5
- Average molar mass
- 464.6 g/mol
- Monoisotopic mass
- 464.29987039
Names & identifiers
- Preferred name
- 1-[2,6-Bis[2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]phenyl]ethanone
- IUPAC
- 1-[2,6-bis[2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]phenyl]ethanone
Names & synonyms
DTXSID8013846391-[2,6-bis[2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]phenyl]ethanone
Database identifiers
- PubChem CID
- 55628
- DTXSID
DTXSID801384639
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 89 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 11
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 539
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Related reactions
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Compound notes
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